Basic information
- CAS
99902-91-7- Standard SMILES
CS(=O)(=O)c1ccc(Oc2cccc(Cl)c2)cc1- InChIKey
DLMKHJPFUNIGAJ-UHFFFAOYSA-N- Molecular formula
- C13H11ClO3S
- Average molar mass
- 282.74 g/mol
- Monoisotopic mass
- 282.0117431
Names & identifiers
- Preferred name
- Benzene, 1-chloro-3-(4-(methylsulfonyl)phenoxy)-
- IUPAC
- 1-chloro-3-(4-methylsulfonylphenoxy)benzene
Names & synonyms
99902-91-7Benzene, 1-chloro-3-(4-(methylsulfonyl)phenoxy)-Benzene, 1-chloro-3-[4-(methylsulfonyl)phenoxy]-1-chloro-3-(4-methylsulfonylphenoxy)benzeneCHEMBL137232DTXSID702443331-Chloro-3-[4-(methanesulfonyl)phenoxy]benzene
Database identifiers
- CAS
99902-91-7- PubChem CID
- 514883
- DTXSID
DTXSID70244333- ChEMBL
CHEMBL137232
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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